Fig. 2: Atomic structural snapshots from AIMD simulations of K2Mg(CO3)2 at different pressures. | Communications Earth & Environment

Fig. 2: Atomic structural snapshots from AIMD simulations of K2Mg(CO3)2 at different pressures.

From: Tetracarbonates in silicate melts may be at the origin of a deep carbon reservoir in the deep Earth

Fig. 2

a 4.5 GPa, only CO3 groups. b 106 GPa, co-existing CO3 and CO4 units. c 145 GPa, all CO3 groups have been converted to tetracarbonate. Note that (C2O7)6- dimers are present already at 106 GPa (b) (corresponding to 79 GPa in the experimental spectrum, Fig. 1a). The entire supercell configurations at different pressures are shown in Supplementary Fig. 2.

Back to article page